2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide

C22H25ClFN5O2 — CID 90321986

IUPAC2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide
SMILESCC[C@H](C)[C@H]1CN(c2ncc(Cl)cc2F)C(=O)N1CC(=O)Nc1cc(C2CC2)ccn1
InChIInChI=1S/C22H25ClFN5O2/c1-3-13(2)18-11-29(21-17(24)9-16(23)10-26-21)22(31)28(18)12-20(30)27-19-8-15(6-7-25-19)14-4-5-14/h6-10,13-14,18H,3-5,11-12H2,1-2H3,(H,25,27,30)/t13-,18+/m0/s1
InChIKeyBDLXXZOPTYQGSB-SCLBCKFNSA-N
MW445.93 g/mol
LogP4.44
Rot. Bonds7

About 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide

2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide (PubChem CID 90321986) has the molecular formula C22H25ClFN5O2 and a molecular weight of 445.93 g/mol. Its IUPAC name is 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide
PubChem CID90321986
Molecular FormulaC22H25ClFN5O2
Molecular Weight445.93 g/mol
Exact Mass445.17
IUPAC Name2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide
SMILESCC[C@H](C)[C@H]1CN(c2ncc(Cl)cc2F)C(=O)N1CC(=O)Nc1cc(C2CC2)ccn1
InChIInChI=1S/C22H25ClFN5O2/c1-3-13(2)18-11-29(21-17(24)9-16(23)10-26-21)22(31)28(18)12-20(30)27-19-8-15(6-7-25-19)14-4-5-14/h6-10,13-14,18H,3-5,11-12H2,1-2H3,(H,25,27,30)/t13-,18+/m0/s1
InChIKeyBDLXXZOPTYQGSB-SCLBCKFNSA-N
XLogP4.44
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide (CID 90321986) is 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide is CC[C@H](C)[C@H]1CN(c2ncc(Cl)cc2F)C(=O)N1CC(=O)Nc1cc(C2CC2)ccn1.
What is the InChIKey of 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide?
The InChIKey is BDLXXZOPTYQGSB-SCLBCKFNSA-N. The full InChI is InChI=1S/C22H25ClFN5O2/c1-3-13(2)18-11-29(21-17(24)9-16(23)10-26-21)22(31)28(18)12-20(30)27-19-8-15(6-7-25-19)14-4-5-14/h6-10,13-14,18H,3-5,11-12H2,1-2H3,(H,25,27,30)/t13-,18+/m0/s1.
What are the key properties of 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide?
2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide has a molecular weight of 445.93 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide is sourced from PubChem (CID 90321986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).